4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide

C13H14N4O — CID 135797119

IUPAC4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N)cc1)c1ccc[nH]1
InChIInChI=1S/C13H14N4O/c1-9(12-3-2-8-15-12)16-17-13(18)10-4-6-11(14)7-5-10/h2-8,15H,14H2,1H3,(H,17,18)/b16-9+
InChIKeySEAFHNWEAACWMX-CXUHLZMHSA-N
MW242.28 g/mol
LogP1.75
Rot. Bonds3

About 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide

4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide (PubChem CID 135797119) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
PubChem CID135797119
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(N)cc1)c1ccc[nH]1
InChIInChI=1S/C13H14N4O/c1-9(12-3-2-8-15-12)16-17-13(18)10-4-6-11(14)7-5-10/h2-8,15H,14H2,1H3,(H,17,18)/b16-9+
InChIKeySEAFHNWEAACWMX-CXUHLZMHSA-N
XLogP1.75
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
2-bromo-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135775128
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 162738403
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
4-amino-N-(1H-pyrrol-2-yl)benzamide
CID 115160970
5-methyl-1-(4-methylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]triazole-4-carboxamide;hydrate
CID 139052371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide (CID 135797119) is 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc[nH]1.
What is the InChIKey of 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide?
The InChIKey is SEAFHNWEAACWMX-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(12-3-2-8-15-12)16-17-13(18)10-4-6-11(14)7-5-10/h2-8,15H,14H2,1H3,(H,17,18)/b16-9+.
What are the key properties of 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide?
4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135797119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).